[(2R,3R,5R)-2-[(E,2S,3S)-2-acetyloxy-3-bromooct-5-enyl]-5-(3-bromopropa-1,2-dienyl)oxolan-3-yl] acetate
| Internal ID | a195e732-977e-42a8-9bd7-05696560d8e8 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > C-glycosyl compounds |
| IUPAC Name | [(2R,3R,5R)-2-[(E,2S,3S)-2-acetyloxy-3-bromooct-5-enyl]-5-(3-bromopropa-1,2-dienyl)oxolan-3-yl] acetate |
| SMILES (Canonical) | CCC=CCC(C(CC1C(CC(O1)C=C=CBr)OC(=O)C)OC(=O)C)Br |
| SMILES (Isomeric) | CC/C=C/C[C@@H]([C@H](C[C@@H]1[C@@H](C[C@@H](O1)C=C=CBr)OC(=O)C)OC(=O)C)Br |
| InChI | InChI=1S/C19H26Br2O5/c1-4-5-6-9-16(21)17(24-13(2)22)12-19-18(25-14(3)23)11-15(26-19)8-7-10-20/h5-6,8,10,15-19H,4,9,11-12H2,1-3H3/b6-5+/t7?,15-,16-,17-,18+,19+/m0/s1 |
| InChI Key | JRQQPVJNDFEESP-OGCZNOPDSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H26Br2O5 |
| Molecular Weight | 494.20 g/mol |
| Exact Mass | 494.01265 g/mol |
| Topological Polar Surface Area (TPSA) | 61.80 Ų |
| XlogP | 3.80 |
| There are no found synonyms. |
![2D Structure of [(2R,3R,5R)-2-[(E,2S,3S)-2-acetyloxy-3-bromooct-5-enyl]-5-(3-bromopropa-1,2-dienyl)oxolan-3-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/2dc931c0-865a-11ee-be7a-174744a1d30b.jpg "2D Structure of [(2R,3R,5R)-2-[(E,2S,3S)-2-acetyloxy-3-bromooct-5-enyl]-5-(3-bromopropa-1,2-dienyl)oxolan-3-yl] acetate")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.12% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.41% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.99% | 91.11% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 90.42% | 96.61% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.25% | 99.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.84% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.16% | 97.21% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.09% | 97.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 85.80% | 96.38% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.22% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.35% | 91.19% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.91% | 97.25% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.50% | 89.50% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.43% | 95.93% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.72% | 96.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.22% | 92.62% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.75% | 95.89% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 14412600 |
| LOTUS | LTS0076785 |
| wikiData | Q105134048 |